SCHEMBL1709261

SCHEMBL1709261

O=C(O)C=C1CCN(C2=CC=CCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13650809 0.71 ALDH1A1 (0.38)
SCHEMBL17934702 0.70
SCHEMBL19120784 0.67 MAPT (0.46) RAB9A
SCHEMBL3885429 0.64 NPC1 (0.37) NPC1RAB9A
SCHEMBL8325073 0.64 CYP3A4 (0.37) NPC1RAB9A
SCHEMBL12983433 0.64 ITGB3 (0.40) NPC1RAB9A
SCHEMBL12663101 0.64 CHRNA7 (0.42) NPC1RAB9A
SCHEMBL20780839 0.64
SCHEMBL31696522 0.63 ALDH1A1 (0.33)
SCHEMBL18849152 0.62 NCF1 (0.40)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012047703-A2 CYCLOPROPYL-SPIRO-PIPERIDINES USEFUL AS SODIUM CHANNEL BLOCKERS SCHERING CORPORATION (US) 2012-04-12 WO disclosed